SCHEMBL1669715

SCHEMBL1669715

c1cc(NC2=NCCC2)c2cnccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
HSD17B10 Q99714 3/20 0.43
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
CDK5 Q00535 2/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 1/20 0.39
TNF P01375 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
CDK1 P06493 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fumaric Acid SCHEMBL1669668 0.89 ADRA2A (0.41) ADRA2AADRA2BADRA2CHSD17B10GAA
Fumaric Acid SCHEMBL1669665 0.89 ADRA2A (0.41) ADRA2AADRA2BADRA2CHSD17B10GAA
SCHEMBL1669736 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CHSD17B10GAA
SCHEMBL1670420 0.74 ADRA2A (0.53) ADRA2AADRA2BADRA2CKMT2APOLB
SCHEMBL1669566 0.71 ADRA2A (0.53) ADRA2AADRA2BADRA2CGAAKMT2A
SCHEMBL2481375 0.70 TNF (0.49) KMT2APOLBCDK5CCNE1CDK2
SCHEMBL21783687 0.70 TNF (0.49) KMT2ACDK5CCNE1CDK2CYP1A2
SCHEMBL1670302 0.70 ADRA2A (0.51) ADRA2AADRA2BADRA2CGAAKMT2A
SCHEMBL6056 0.68 POLB (0.59) ADRA2AADRA2BADRA2CKMT2APOLB
SCHEMBL5534 0.67 ADRA2A (1.00) ADRA2AADRA2BADRA2CKMT2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3584237-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2020-12-09 EP claimed
EP-2486009-B1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2019-08-21 EP claimed
US-20150209351-A1 Alpha Adrenergic Receptor Modulators ALLERGAN, INC. 2015-07-30 US claimed
US-9040532-B2 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2015-05-26 US claimed
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC (US) 2012-08-16 US claimed
EP-2486009-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-15 EP claimed
WO-2011044229-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-14 WO claimed
EP-3584237-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2020-12-09 EP disclosed
EP-2486009-B1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2019-08-21 EP disclosed
US-9522150-B2 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2016-12-20 US disclosed
US-20150209351-A1 Alpha Adrenergic Receptor Modulators ALLERGAN, INC. 2015-07-30 US disclosed
US-9040532-B2 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2015-05-26 US disclosed
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC (US) 2012-08-16 US disclosed
EP-2486009-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-15 EP disclosed
WO-2011044229-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150209351-A1 Alpha Adrenergic Receptor Modulators ADRB1, ADRB2, ADRA2C ADRA2A 5/4885ADRA2B 9/4885ADRA2C 3/4885
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ADRB1, ADRB2, ADRA2C ADRA2A 5/4885ADRA2B 9/4885ADRA2C 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.